Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13184154 | 0.80 | HTT (0.51) | HTTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16200310 | 0.76 | LRRK2 (0.51) | HTTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16200129 | 0.66 | L3MBTL1 (0.39) | HTTCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL25488838 | 0.65 | CNR2 (0.36) | CYP1A2CYP2C19CNR2KMT2ACNR1 | |
| SCHEMBL21856048 | 0.61 | CNR2 (0.37) | CYP1A2CYP2C19CNR2KMT2ACNR1 | |
| SCHEMBL16200120 | 0.61 | NOTUM (0.41) | CYP1A2CYP2D6CYP2C19HCAR2MEN1 | |
| SCHEMBL11823450 | 0.60 | CNR2 (0.32) | CNR2CNR1 | |
| SCHEMBL10094628 | 0.60 | HSD11B1 (0.52) | CYP1A2CYP2C19KMT2A | |
| SCHEMBL31000161 | 0.59 | PDE5A (0.42) | CNR2 | |
| SCHEMBL20424735 | 0.59 | MEN1 (0.38) | CYP1A2CYP2D6CYP2C9CYP2C19CNR2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1720545-B1 | BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES | CHEMOCENTRYX INC (US) | 2014-10-29 | — | — | EP | disclosed |